Geometry & MOs

Info

ID:	233945
PubChem CID:	92252635
Reduced:	SO2N3C22H31 (1)
Stoich.:	AB2C3D22E31 (1)
Weight, g/mol:	418.112464
ΔH_f, kcal/mol:	-78.39
Dipole, Da:	2.26
IP(EA), eV:	-8.36(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2S,3Z)-3-[(2,4-dinitrophenyl)hydrazinylidene]-2-(3-methoxyphenoxy)propanoate

Drug info:

PubChemData

Smile

C[C@@H]1CCC[C@H]([C@@H]1C)NC(=O)[C@@H]2CCCN(C2)C(=O)C3=CC4=C(N3C)C=CS4

DOS

IR

Vibrations